SCHEMBL529408

SCHEMBL529408

CN(C)CCc1cccc(N)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.61
HTR7 P34969 4/20 0.59
MAOA P21397 2/20 0.59
MAOB P27338 2/20 0.59
CYP19A1 P11511 1/20 0.57
SIGMAR1 Q99720 1/20 0.56
HTR1A P08908 1/20 0.50
ACHE P22303 1/20 0.49
AOC3 Q16853 2/20 0.49
CHRNA7 P36544 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HTR6 P50406 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31480967 1.00 TAAR1 (0.61) TAAR1HTR7MAOAMAOBCYP19A1
SCHEMBL4633328 0.89 MAOA (0.55) TAAR1HTR7MAOAMAOBCYP19A1
SCHEMBL10647922 0.82 MAOA (0.57) MAOAMAOBCYP19A1SIGMAR1HTR1A
SCHEMBL29943821 0.81 MAOA (0.55) MAOAMAOBCYP19A1SIGMAR1HTR1A
SCHEMBL249429 0.81 MAOA (0.55) MAOAMAOBCYP19A1SIGMAR1HTR1A
SCHEMBL2154372 0.80 MAOB (0.86) MAOAMAOBCYP19A1SIGMAR1
SCHEMBL29436994 0.80 MAOB (0.86) MAOAMAOBCYP19A1SIGMAR1
SCHEMBL10554544 0.79 MAOA (0.53) TAAR1HTR7MAOAMAOBCYP19A1
SCHEMBL7258350 0.79 HTR6 (0.56) TAAR1HTR7HTR1AACHEAOC3
SCHEMBL10555327 0.79 DRD2 (0.65) MAOAMAOBCYP19A1SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
WO-2015004481-A1 IMIDAZO-CONDENSED BICYCLES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS (DDRS) ASTEX THERAPEUTICS LIMITED (GB) 2015-01-15 WO disclosed
WO-2015004481-A1 IMIDAZO-CONDENSED BICYCLES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS (DDRS) ASTEX THERAPEUTICS LIMITED (GB) 2015-01-15 WO disclosed
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
CN-102459265-A Pyrimidine inhibitors of kinase activity ABBOTT LAB 2012-05-16 CN disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
EP-1560829-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
EP-1802603-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2006040522-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET TAAR1 4481/4885HTR7 3401/4885MAOA 1522/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 TAAR1 2271/4885HTR7 606/4885MAOA 2774/4885
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 TAAR1 2800/4885HTR7 1324/4885MAOA 902/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.